N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H17N3O2S — CID 126469973

IUPACN,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C13H17N3O2S/c1-5-6-15(4)11(17)10-7-14-13-16(12(10)18)8(2)9(3)19-13/h7H,5-6H2,1-4H3
InChIKeyXWNVRLSYUQTJOD-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.85
Rot. Bonds3

About N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469973) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469973
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O
InChIInChI=1S/C13H17N3O2S/c1-5-6-15(4)11(17)10-7-14-13-16(12(10)18)8(2)9(3)19-13/h7H,5-6H2,1-4H3
InChIKeyXWNVRLSYUQTJOD-UHFFFAOYSA-N
XLogP1.85
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469973) is N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCN(C)C(=O)c1cnc2sc(C)c(C)n2c1=O.
What is the InChIKey of N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XWNVRLSYUQTJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-5-6-15(4)11(17)10-7-14-13-16(12(10)18)8(2)9(3)19-13/h7H,5-6H2,1-4H3.
What are the key properties of N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).